2-chloro-4-(3-nitrophenyl)benzoic acid


Chemical Name: 2-chloro-4-(3-nitrophenyl)benzoic acid
CAS Number: 1261894-36-3
Product Number: AG000S41(AGN-PC-09O0FI)
Synonyms:
MDL No:
Molecular Formula: C13H8ClNO4
Molecular Weight: 277.6599

Identification/Properties


Computed Properties
Molecular Weight:
277.66g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
277.014g/mol
Monoisotopic Mass:
277.014g/mol
Topological Polar Surface Area:
83.1A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
357
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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